1-(11-cyclohexylsulfanylundecyl)pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(11-cyclohexylsulfanylundecyl)pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(11-cyclohexylsulfanylundecyl)pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[11-(cyclohexylthio)undecyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(11-cyclohexylsulfanylundecyl)pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[11-(cyclohexylthio)undecyl]pyridin-1-ium tosylate Formula: C29H45NO3S2 MolecularWeight: 519.8025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)SCCCCCCCCCCC[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)SCCCCCCCCCCC[N+]2=CC=CC=C2

InChI

InChI=1S/C22H38NS.C7H8O3S/c1(2-4-6-12-18-23-19-13-9-14-20-23)3-5-7-15-21-24-22-16-10-8-11-17-22;1-6-2-4-7(5-3-6)11(8,9)10/h9,13-14,19-20,22H,1-8,10-12,15-18,21H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1